Transition-metal oxides in the self-interaction–corrected density-functional formalism

Self-Consistent Equations Including Exchange and Correlation Effects

1965 • 57,451 citations

Inhomogeneous Electron Gas

1964 • 48,242 citations

Self-interaction correction to density-functional approximations for many-electron systems

1981 • 19,782 citations

Band gaps and electronic structure of transition-metal compounds

1985 • 2,809 citations

Explicit, First-Principles Tight-Binding Theory

1984 • 2,702 citations

Magnitude and Origin of the Band Gap in NiO

1984 • 888 citations

Illustration of the linear-muffin-tin-orbital tight-binding representation: Compact orbitals and charge density in Si

1986 • 781 citations

Valence-band photoemission and optical absorption in nickel compounds

1984 • 656 citations

Theory of Heavy Fermions and Valence Fluctuations

1985 • 458 citations

Band model for magnetism of transition metals in the spin-density-functional formalism

1976 • 457 citations

Transition-Metal Monoxides: Band or Mott Insulators

1984 • 269 citations

Atomic Self-Consistent-Field Calculations Using Statistical Approximations for Exchange and Correlation

1967 • 261 citations

Ground-state and optical properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Cu</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>O and CuO crystals

1989 • 257 citations

Multielectron satellites and spin polarization in photoemission from Ni compounds

1984 • 241 citations

Electronic structure of transition metal compounds; ground-state properties of the 3d-monoxides in the atomic sphere approximation

1980 • 237 citations

Local-density Hartree–Fock theory of electronic states of molecules with self-interaction correction

1984 • 211 citations

Self-interaction correction for density-functional theory of electronic energy bands of solids

1983 • 192 citations

Localization in the self-interaction-corrected density-functional formalism

1988 • 176 citations

Density-functional theory with self-interaction correction: Application to the lithium moleculea)

1985 • 174 citations

A self-interaction corrected approach to many-electron systems: Beyond the local spin density approximation

1980 • 155 citations

A statistical exchange approximation for localized electrons

2009 • 120 citations

Model supercell local-density calculations of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>3</mml:mn><mml:mi>d</mml:mi></mml:math>excitation spectra in NiO

1986 • 117 citations

Band-structure description of Mott insulators (NiO, MnO, FeO, CoO)

1990 • 92 citations

Anti-Ferromagnetic Moment Formation in the Self-Interaction-Corrected Density Functional Formalism

1988 • 63 citations

Self-interaction correction for energy band calculations: Application to LiCl

1982 • 57 citations

The self-interaction-corrected electronic band structure of six alkali fluoride and chloride crystals

1988 • 56 citations

Simplified self-interaction correction applied to the energy bands of neon and sodium chloride

1983 • 43 citations